3,4-dicyclopentyl-4H-1,2-oxazole-5,5-dicarboxamide

C15H23N3O3 — CID 69034000

IUPAC3,4-dicyclopentyl-4H-1,2-oxazole-5,5-dicarboxamide
SMILESNC(=O)C1(C(N)=O)ON=C(C2CCCC2)C1C1CCCC1
InChIInChI=1S/C15H23N3O3/c16-13(19)15(14(17)20)11(9-5-1-2-6-9)12(18-21-15)10-7-3-4-8-10/h9-11H,1-8H2,(H2,16,19)(H2,17,20)
InChIKeyFQFLWUYDOVEERZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.08
Rot. Bonds4

About 3,4-dicyclopentyl-4H-1,2-oxazole-5,5-dicarboxamide

3,4-dicyclopentyl-4H-1,2-oxazole-5,5-dicarboxamide (PubChem CID 69034000) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3,4-dicyclopentyl-4H-1,2-oxazole-5,5-dicarboxamide.

Molecular Properties

Compound Name3,4-dicyclopentyl-4H-1,2-oxazole-5,5-dicarboxamide
PubChem CID69034000
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3,4-dicyclopentyl-4H-1,2-oxazole-5,5-dicarboxamide
SMILESNC(=O)C1(C(N)=O)ON=C(C2CCCC2)C1C1CCCC1
InChIInChI=1S/C15H23N3O3/c16-13(19)15(14(17)20)11(9-5-1-2-6-9)12(18-21-15)10-7-3-4-8-10/h9-11H,1-8H2,(H2,16,19)(H2,17,20)
InChIKeyFQFLWUYDOVEERZ-UHFFFAOYSA-N
XLogP1.08
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dicyclopentyl-4H-1,2-oxazole-5,5-dicarboxamide?
The IUPAC name of 3,4-dicyclopentyl-4H-1,2-oxazole-5,5-dicarboxamide (CID 69034000) is 3,4-dicyclopentyl-4H-1,2-oxazole-5,5-dicarboxamide.
What is the SMILES notation for 3,4-dicyclopentyl-4H-1,2-oxazole-5,5-dicarboxamide?
The canonical SMILES for 3,4-dicyclopentyl-4H-1,2-oxazole-5,5-dicarboxamide is NC(=O)C1(C(N)=O)ON=C(C2CCCC2)C1C1CCCC1.
What is the InChIKey of 3,4-dicyclopentyl-4H-1,2-oxazole-5,5-dicarboxamide?
The InChIKey is FQFLWUYDOVEERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c16-13(19)15(14(17)20)11(9-5-1-2-6-9)12(18-21-15)10-7-3-4-8-10/h9-11H,1-8H2,(H2,16,19)(H2,17,20).
What are the key properties of 3,4-dicyclopentyl-4H-1,2-oxazole-5,5-dicarboxamide?
3,4-dicyclopentyl-4H-1,2-oxazole-5,5-dicarboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dicyclopentyl-4H-1,2-oxazole-5,5-dicarboxamide is sourced from PubChem (CID 69034000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).